2-[3,5-dimethyl-4-[(4-oxidanyl-3-propan-2-yl-phenyl)-phenylsulfanyl-methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-[(4-oxidanyl-3-propan-2-yl-phenyl)-phenylsulfanyl-methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(4-hydroxy-3-isopropyl-phenyl)-phenylsulfanyl-methyl]-3,5-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)-(phenylthio)methyl]-3,5-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)-phenylsulfanylmethyl]-3,5-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[(4-hydroxy-3-isopropyl-phenyl)-(phenylthio)methyl]-3,5-dimethyl-phenoxy]acetic acid Formula: C26H28O4S MolecularWeight: 436.56312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C2=CC(=C(C=C2)O)C(C)C)SC3=CC=CC=C3)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C(C2=CC(=C(C=C2)O)C(C)C)SC3=CC=CC=C3)C)OCC(=O)O

InChI

InChI=1S/C26H28O4S/c1-16(2)22-14-19(10-11-23(22)27)26(31-21-8-6-5-7-9-21)25-17(3)12-20(13-18(25)4)30-15-24(28)29/h5-14,16,26-27H,15H2,1-4H3,(H,28,29)